SCHEMBL9115244

SCHEMBL9115244

C=CCc1c(OC(C)C)cc(/C=C/C(=O)c2ccc(O)cc2)cc1OC(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.51
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
F3 P13726 3/20 0.47
CTSL P07711 1/20 0.46
MAOB P27338 3/20 0.45
ABCG2 Q9UNQ0 2/20 0.45
MAPT P10636 5/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 2/20 0.45
RAB9A P51151 2/20 0.45
P4HB P07237 1/20 0.45
CALM1 P0DP23 1/20 0.45
XDH P47989 1/20 0.45
LMNA P02545 2/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9115255 1.00 PTPN1 (0.51) PTPN1PDE4APDE4BPDE4CPDE4D
SCHEMBL9115467 0.89 KRAS (0.58) PTPN1PDE4APDE4BPDE4CPDE4D
SCHEMBL9115462 0.89 KRAS (0.58) PTPN1PDE4APDE4BPDE4CPDE4D
SCHEMBL9113607 0.87 PTPN1 (0.63) PTPN1CA1CA2F3CTSL
SCHEMBL9113603 0.87 PTPN1 (0.63) PTPN1CA1CA2F3CTSL
SCHEMBL9113085 0.87 PTPN1 (0.53) PTPN1PDE4APDE4BPDE4CPDE4D
SCHEMBL9113078 0.87 PTPN1 (0.53) PTPN1PDE4APDE4BPDE4CPDE4D
SCHEMBL9115084 0.87 MAPT (0.59) PTPN1MAOBABCG2MAPTKMT2A
SCHEMBL9241047 0.85 ABCG2 (0.55) PTPN1MAOBABCG2MAPTALDH1A1
SCHEMBL9114462 0.85 ABCG2 (0.58) PTPN1PDE4APDE4BPDE4CPDE4D

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995006628-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-03-09 WO claimed
WO-1995006628-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-03-09 WO disclosed